2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid

C19H14FNO4S — CID 71292981

IUPAC2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1
InChIInChI=1S/C19H14FNO4S/c20-13-3-1-2-11(8-13)15-6-4-12-9-14(5-7-16(12)25-15)24-19-21-10-17(26-19)18(22)23/h1-3,5,7-10,15H,4,6H2,(H,22,23)
InChIKeyXOOPJFNUFHFGLT-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.84
Rot. Bonds4

About 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid

2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid (PubChem CID 71292981) has the molecular formula C19H14FNO4S and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid
PubChem CID71292981
Molecular FormulaC19H14FNO4S
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Name2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1
InChIInChI=1S/C19H14FNO4S/c20-13-3-1-2-11(8-13)15-6-4-12-9-14(5-7-16(12)25-15)24-19-21-10-17(26-19)18(22)23/h1-3,5,7-10,15H,4,6H2,(H,22,23)
InChIKeyXOOPJFNUFHFGLT-UHFFFAOYSA-N
XLogP4.84
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid (CID 71292981) is 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid?
The InChIKey is XOOPJFNUFHFGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4S/c20-13-3-1-2-11(8-13)15-6-4-12-9-14(5-7-16(12)25-15)24-19-21-10-17(26-19)18(22)23/h1-3,5,7-10,15H,4,6H2,(H,22,23).
What are the key properties of 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid?
2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 71292981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).